2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine

C20H21BN2O3 — CID 164716813

About 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine

2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine (PubChem CID 164716813) has the molecular formula C20H21BN2O3 and a molecular weight of 348.21 g/mol. Its IUPAC name is 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine
• PubChem CID: 164716813
• Molecular Formula: C20H21BN2O3
• Molecular Weight: 348.21 g/mol
• Exact Mass: 348.16
• IUPAC Name: 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine
• SMILES: CC1(C)OB(c2cc(-c3ccccn3)c(-c3ccccn3)o2)OC1(C)C
• InChI: InChI=1S/C20H21BN2O3/c1-19(2)20(3,4)26-21(25-19)17-13-14(15-9-5-7-11-22-15)18(24-17)16-10-6-8-12-23-16/h5-13H,1-4H3
• InChIKey: SXTSTLWODKHRJE-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 57.38 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.21
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine?

The IUPAC name of 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine (CID 164716813) is 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine.

What is the SMILES notation for 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine?

The canonical SMILES for 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine is CC1(C)OB(c2cc(-c3ccccn3)c(-c3ccccn3)o2)OC1(C)C.

What is the InChIKey of 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine?

The InChIKey is SXTSTLWODKHRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BN2O3/c1-19(2)20(3,4)26-21(25-19)17-13-14(15-9-5-7-11-22-15)18(24-17)16-10-6-8-12-23-16/h5-13H,1-4H3.

What are the key properties of 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine?

2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine has a molecular weight of 348.21 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-pyridin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-yl]pyridine is sourced from PubChem (CID 164716813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).